N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide

C12H15BrN2O — CID 43630056

IUPACN-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NC1CC(N)C1
InChIInChI=1S/C12H15BrN2O/c1-7-4-8(13)2-3-11(7)12(16)15-10-5-9(14)6-10/h2-4,9-10H,5-6,14H2,1H3,(H,15,16)
InChIKeyUOQBCLVSGWMXDP-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.98
Rot. Bonds2

About N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide

N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide (PubChem CID 43630056) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide
PubChem CID43630056
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NC1CC(N)C1
InChIInChI=1S/C12H15BrN2O/c1-7-4-8(13)2-3-11(7)12(16)15-10-5-9(14)6-10/h2-4,9-10H,5-6,14H2,1H3,(H,15,16)
InChIKeyUOQBCLVSGWMXDP-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
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5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
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CID 55038314
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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide?
The IUPAC name of N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide (CID 43630056) is N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide?
The canonical SMILES for N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NC1CC(N)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide?
The InChIKey is UOQBCLVSGWMXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-7-4-8(13)2-3-11(7)12(16)15-10-5-9(14)6-10/h2-4,9-10H,5-6,14H2,1H3,(H,15,16).
What are the key properties of N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide?
N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide has a molecular weight of 283.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-4-bromo-2-methylbenzamide is sourced from PubChem (CID 43630056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).